Crystallography Open Database

Information card for entry 4114830

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Coordinates	4114830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H112 Cl10 Cr2 N4 O4
Calculated formula	C75.8 H111.4 Cl10 Cr2.008 N4 O4
Title of publication	Mechanistic Aspects of the Copolymerization Reaction of Carbon Dioxide and Epoxides, Using a Chiral Salen Chromium Chloride Catalyst
Authors of publication	Donald J. Darensbourg; Jason C. Yarbrough
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	6335 - 6342
a	12.593 ± 0.003 Å
b	30.774 ± 0.007 Å
c	11.704 ± 0.003 Å
α	90°
β	110.88 ± 0.005°
γ	90°
Cell volume	4237.9 ± 1.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2765
Residual factor for significantly intense reflections	0.1079
Weighted residual factors for significantly intense reflections	0.2488
Weighted residual factors for all reflections included in the refinement	0.3453
Goodness-of-fit parameter for all reflections included in the refinement	0.693
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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